Benzanilide - ≥98%(GC) , CAS No.93-98-1

CAS: 93-98-1 Cat. No.: B152328 Fórmula: C₁₃H₁₁NO Peso molecular: 197.24 Beilstein Registry Number: 1102980 Número EC: 202-292-7

CALIDAD & PUREZA ≥98%(GC)

Synonyms

N-Phenylbenzamide|N-Phenyl-benzamide|BENZANILIDE|n-benzoyl aniline|Benzoic acid anilide|N-Benzoylaniline|N-Phenylbenzoic acid amide|Benzamide, N-phenyl-|BENZANILIDE [MI]|Benzanilide (165 degrees C) Melting Point Standard|N-PHENYLBENZENECARBOXAMIDE

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

N-Phenylbenzamide | N-Phenyl-benzamide | BENZANILIDE | n-benzoyl aniline | Benzoic acid anilide | N-Benzoylaniline | N-Phenylbenzoic acid amide | Benzamide, N-phenyl- | BENZANILIDE [MI] | Benzanilide (165 degrees C) Melting Point Standard | N-PHENYLBENZENECARBOXAMIDE

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488180320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180320

Sonrisas canónicas

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

IUPAC Name

N-phenylbenzamide

InChIKey

ZVSKZLHKADLHSD-UHFFFAOYSA-N

INCHI

1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)

Isómeros SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

WGK Alemania

3

Peso molecular

197.24

Beilstein

1102980

Reaxy-Rn

1102980

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102980&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Benzoyl derivatives Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzoic acid or derivatives - Benzamide - Benzoyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)

Discover Target: MAPK10

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MCF7 (126967 Activities)

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SK-BR-3 (5175 Activities)

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SW480 (6023 Activities)

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HCT-116 (91556 Activities)

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HEK293 (82097 Activities)

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MDA-MB-231 (73002 Activities)

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SW-620 (52400 Activities)

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BCAT2 Tchem Branched-chain-amino-acid aminotransferase, mitochondrial (199 Activities)

Discover Target: BCAT2

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HSPD1 Tbio HSP60/HSP10 (366 Activities)

Discover Target: HSPD1

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Objetivos asociados (no humanos)

Chlamydia pneumoniae (241 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Enterococcus faecium (13803 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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groL GroEL/GroES (1042 Activities)

Discover Target: groL

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 166 °C
• Peso molecular: 197.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.084 Da
• Monoisotopic Mass: 197.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1